N-[1-(oxolan-2-yl)ethyl]prop-2-enamide

C9H15NO2 — CID 43616701

IUPACN-[1-(oxolan-2-yl)ethyl]prop-2-enamide
SMILESC=CC(=O)NC(C)C1CCCO1
InChIInChI=1S/C9H15NO2/c1-3-9(11)10-7(2)8-5-4-6-12-8/h3,7-8H,1,4-6H2,2H3,(H,10,11)
InChIKeyVNLSDDJBAINQJK-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.86
Rot. Bonds3

About N-[1-(oxolan-2-yl)ethyl]prop-2-enamide

N-[1-(oxolan-2-yl)ethyl]prop-2-enamide (PubChem CID 43616701) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is N-[1-(oxolan-2-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-(oxolan-2-yl)ethyl]prop-2-enamide
PubChem CID43616701
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC NameN-[1-(oxolan-2-yl)ethyl]prop-2-enamide
SMILESC=CC(=O)NC(C)C1CCCO1
InChIInChI=1S/C9H15NO2/c1-3-9(11)10-7(2)8-5-4-6-12-8/h3,7-8H,1,4-6H2,2H3,(H,10,11)
InChIKeyVNLSDDJBAINQJK-UHFFFAOYSA-N
XLogP0.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-2-yl)ethyl]prop-2-enamide?
The IUPAC name of N-[1-(oxolan-2-yl)ethyl]prop-2-enamide (CID 43616701) is N-[1-(oxolan-2-yl)ethyl]prop-2-enamide.
What is the SMILES notation for N-[1-(oxolan-2-yl)ethyl]prop-2-enamide?
The canonical SMILES for N-[1-(oxolan-2-yl)ethyl]prop-2-enamide is C=CC(=O)NC(C)C1CCCO1.
What is the InChIKey of N-[1-(oxolan-2-yl)ethyl]prop-2-enamide?
The InChIKey is VNLSDDJBAINQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-9(11)10-7(2)8-5-4-6-12-8/h3,7-8H,1,4-6H2,2H3,(H,10,11).
What are the key properties of N-[1-(oxolan-2-yl)ethyl]prop-2-enamide?
N-[1-(oxolan-2-yl)ethyl]prop-2-enamide has a molecular weight of 169.22 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-2-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 43616701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).